ethyl (2S)-2-cyano-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylimino]propanoate Openeye Name: ethyl (2S)-3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylimino]-2-cyano-propanoate CAS Name: (2S)-2-cyano-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylimino]-2-cyanopropanoate Traditional Name: (2S)-3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylimino]-2-cyano-propionic acid ethyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=C(N(N=C1C)CC2=CC=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=C(N(N=C1C)CC2=CC=CC=C2)C)C#N

InChI

InChI=1S/C19H22N4O2/c1-4-25-19(24)17(10-20)11-21-12-18-14(2)22-23(15(18)3)13-16-8-6-5-7-9-16/h5-9,11,17H,4,12-13H2,1-3H3/t17-/m1/s1